4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide

C12H24N2O3 — CID 66241397

IUPAC4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
SMILESCC(C)COCCCNC(=O)C1COCC1N
InChIInChI=1S/C12H24N2O3/c1-9(2)6-16-5-3-4-14-12(15)10-7-17-8-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyQHLPVBUPZKVFTQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.14
Rot. Bonds7

About 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide

4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide (PubChem CID 66241397) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
PubChem CID66241397
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
SMILESCC(C)COCCCNC(=O)C1COCC1N
InChIInChI=1S/C12H24N2O3/c1-9(2)6-16-5-3-4-14-12(15)10-7-17-8-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyQHLPVBUPZKVFTQ-UHFFFAOYSA-N
XLogP0.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
2-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 86852643
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide (CID 66241397) is 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide is CC(C)COCCCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide?
The InChIKey is QHLPVBUPZKVFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)6-16-5-3-4-14-12(15)10-7-17-8-11(10)13/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide?
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 66241397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).